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English
Pelargonidin 3-rhamnoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
flavylium compound
1 reference
based on heuristic
inferred from SMILES
mass
417.11800867208996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(2S,3S,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₁O₉⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2C(O)=C1
0 references
Identifiers
InChI
InChI=1S/C21H20O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-9,17-19,21,25-27H,1H3,(H2-,22,23,24)/p+1/t9-,17-,18+,19+,21-/m0/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
RFOBAKWGJRIIMU-DLQXMICZSA-O
1 reference
based on heuristic
inferred from SMILES
PubChem CID
11464207
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RFOBAKWGJRIIMU-DLQXMICZSA-O
LIPID MAPS ID
LMPK12010091
0 references
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